Hyocholic Acid
(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Hyocholic acid|Iocholic acid|Muricholic acid|gamma-Muricholic acid|Hyocholate|Hyocholsaure|gamma-Muricholate|porcine cholic acid|lambda-Muricholic acid|alpha-Hyocholic acid|HYOCHOLICACID|alpha-Muricholic acid|3a,6a,7a-Trihydroxy-5b-cholanic acid|6alpha-Hydroxychenodeoxycholic acid|.ALPHA.-HYOCHOLIC ACID|.GAMMA.-MURICHOLIC ACID|5b-Cholanic acid-3a,6a,7a-triol|Trihydroxy-5alpha-cholanoic acid|EINECS 208-935-8|3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid|3,6,7-Trihydroxy-5-cholanoic acid|TN7024|3,6,7-Trihydroxycholan-24-oic acid #|3?,6?,7?-Trihydroxy-5?-cholanic Acid
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.28757 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 636.8 |
Chemical Identifiers
| CAS Number | 547-75-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
Hyocholic Acid (CAS 547-75-1), with molecular formula C24H40O5 and molecular weight 408.28757 g/mol. IUPAC: (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
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